N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide

C12H22N2O2 — CID 47469223

IUPACN-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-8(2)11(15)14-10-6-4-9(5-7-10)12(16)13-3/h8-10H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyYCRSPBPUTXTXGT-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.06
Rot. Bonds3

About N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide

N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide (PubChem CID 47469223) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide
PubChem CID47469223
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-8(2)11(15)14-10-6-4-9(5-7-10)12(16)13-3/h8-10H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyYCRSPBPUTXTXGT-UHFFFAOYSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide (CID 47469223) is N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide is CNC(=O)C1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide?
The InChIKey is YCRSPBPUTXTXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)11(15)14-10-6-4-9(5-7-10)12(16)13-3/h8-10H,4-7H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide?
N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 47469223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).